SCHEMBL2555876

SCHEMBL2555876

O=Cc1c(-c2cccc(Cl)c2)nn(-c2ccc(F)c(F)c2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
MAPT P10636 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
IDO1 P14902 3/20 0.32
TDO2 P48775 3/20 0.32
ESR1 P03372 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2559499 0.92 MAPT (0.37) MAPTCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL29955286 0.90 NPC1 (0.39) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL15329796 0.89 DHODH (0.37) PTGS2CYP1A2CYP2C9CYP2C19CA12
SCHEMBL2556481 0.89 DGAT2 (0.40) PTGS2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2556343 0.88 HTT (0.36) PTGS2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL15332132 0.88 CA1 (0.40) PTGS2CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL2562810 0.87 GRM5 (0.35) PTGS2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL15330409 0.87 NPC1 (0.36) NPC1RAB9AATMIDO1TDO2
SCHEMBL15331822 0.87 LMNA (0.40) PTGS2NPSR1ATMPTGS1CA1
SCHEMBL15330528 0.85 NPC1 (0.43) MAPTCYP1A2CYP2C9CYP2C19NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed